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2023-01-18hpctoolkit: update cray support (#34995)Mark W. Krentel1-17/+33
1. add variant cray-static, older crays build hpcprof-mpi static, newer ones build dynamic. 2. move URL patches from github to gitlab. 3. add workaround for a bug where a file is mistakenly overwritten. 4. add conflict for hpcprof-mpi at 2022.10.01. * [@spackbot] updating style on behalf of mwkrentel Co-authored-by: mwkrentel <mwkrentel@users.noreply.github.com>
2023-01-18VTK: fix 9.1–9.2 builds (#34589)Adam J. Stewart1-7/+12
* VTK: add missing dependencies * Deal with missing verdict dep * http -> https * Add patch to fix failing cmake * Update netcdf-cxx usage in build recipe * netcdf-cxx4 doesn't work
2023-01-18license year bump (#34921)Harmen Stoppels7148-7169/+7172
* license bump year * fix black issues of modified files * mypy * fix 2021 -> 2023
2023-01-18hdf5@1.8.21 %oneapi@2023.0.0: -Wno-error=int-conversion (#34983)eugeneswalker1-0/+2
2023-01-18npm: Add latest version, update build (#34947)Todd Gamblin1-17/+75
* npm: Add latest version, update build The `npm` package had gotten a bit long in the tooth and only suported the last version for which running `configure` / `make` / `make install` actually worked. - [x] Update the package to support npm@9, in which `npm install .` works properly and installation is easier. - [x] Update the package so that `npm@6:8` also install successfullly. The incantation that is *supposed* to work on these versions is `node bin/npm-cli.js install $(node bin/npm-cli.js pack . | tail -1)`, but depending on the version one of `npm install` or `npm pack` will fail when run straight from the install directory. So now we just manually copies things over. This seems to make the `npm` install much more reliable for all of `npm@6:9` (at least for me). udpates the `npm` build to support versions 6-9 and fixes the install for all of them on macos. * update for review
2023-01-18lammps: enable linking with armpl-gcc FFT (#34980)Annop Wongwathanarat1-0/+6
2023-01-18[armpl-gcc] Make pkg-config files available (#34978)Stephen Sachs1-1/+12
* [armpl-gcc] Make pkg-config files available ARMpl pkgconfig files are located in a non-default location and do not have the .pc extension. Changing those both helps pkgconfig pick them up correctly, e.g. in the meson build of `py-scipy`. * Address @annop-w comments * symlink instead of cp. Co-authored-by: Stephen Sachs <stesachs@amazon.com>
2023-01-18acfl: update hash for 22.1 on RHEL-7 (#34997)Annop Wongwathanarat1-1/+1
2023-01-18py-pytorch-lightning: add v1.9.0 (#34996)Adam J. Stewart2-3/+11
2023-01-18Add tiny profile cmake support (#34993)Nate deVelder1-0/+2
2023-01-17Subclass PythonExtension instead of custom test method (#34985)Adam J. Stewart3-82/+3
2023-01-17py-itk: add version 5.3.0 (#34968)Glenn Johnson1-3/+71
* py-itk: add version 5.3.0 * Remove wheels for unsupported python versions * Fill out the version specs * Drop th 'm' from the cp37 version strings
2023-01-17py-h5py %oneapi@2023.0.0: ↵eugeneswalker1-0/+7
-Wno-error=incompatible-function-pointer-types,pointer-types-discards-qualifiers (#34984)
2023-01-17py-sphinx-immaterial: new package (#34948)Todd Gamblin1-0/+29
* py-sphinx-immaterial: new package This is a new-ish theme for Sphinx that's based on MkDocs's `immaterial` theme. More on the theme here: https://jbms.github.io/sphinx-immaterial/, but it seems to be very clear and readable. We *might* consider switching to it for Spack's docs. * Update var/spack/repos/builtin/packages/py-sphinx-immaterial/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Update var/spack/repos/builtin/packages/py-sphinx-immaterial/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Update var/spack/repos/builtin/packages/py-sphinx-immaterial/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Update var/spack/repos/builtin/packages/py-sphinx-immaterial/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * add note about node.js requirements Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-01-17rempi: patch rempi_message_manager.h: include string (#34982)eugeneswalker2-3/+15
2023-01-17Forward lookup of "test_log_file" and "test_failures" (#34882)Massimiliano Culpo1-2/+4
* Forward lookup of "test_log_file" and "test_failures" refers #34531 closes #34487 fixes #34440 * Add unit test * py-libensemble: fix tests * Support stand-alone tests with cached files as install-time tests Co-authored-by: Tamara Dahlgren <dahlgren1@llnl.gov>
2023-01-17cp2k: enable linking with armpl-gcc for BLAS and FFT (#34981)Annop Wongwathanarat1-0/+4
2023-01-17python: 3.11.1, use -flto=thin when clang (#34951)Harmen Stoppels1-1/+6
2023-01-17Bump gnupg & libksba, (CVE) (#34976)Harmen Stoppels2-6/+34
* gnupg: 2.4.0 * libksba: 1.6.3 (CVE-2022-47629)
2023-01-17faiss: fixed error when importing faiss python package (#34672)Loïc Pottier1-1/+7
This is only a work-around for the actual problem that Python is used to install libraries instead of CMake, so we end up with BUILD_RPATH not INSTALL_RPATHs. Signed-off-by: Loïc Pottier <pottier1@llnl.gov> Co-authored-by: Harmen Stoppels <harmenstoppels@gmail.com>
2023-01-17bubblewrap: 0.7.0 (#34975)Harmen Stoppels1-0/+1
2023-01-17perl-file-temp: add 0.2311 (#34866)Christopher Christofi1-0/+15
2023-01-17libcroco: Get the `doc` variant working (#34735)Glenn Johnson1-7/+29
2023-01-17mvapich: add new package in preparation for v3.0 (#34276)MatthewLieber1-0/+293
* Add new file for MVAPICH 3.0a release Creating this as a new package since it requires some new configuration options and because we are moving to the name "MVAPICH" and droping the 2 (following a similar move by MPICH). Co-authored-by: Nat Shineman <shineman.5@osu.edu> Co-authored-by: Matthew Lieber <lieber.31@osu.edu>
2023-01-17flexiblas: add versions up to v3.3.0 (#34874)Ashwin Kumar1-0/+4
2023-01-17New version for openCARP packages, v12.0 (#34710)Marie Houillon3-2/+12
Co-authored-by: openCARP consortium <info@opencarp.org>
2023-01-17mfem: support pumi w/zoltan and parmetis (#34864)Cameron Smith1-1/+14
2023-01-17crtm: overhaul package, add crtm-fix (#34715)Dom Heinzeller2-2/+125
Update crtm from JCSDA-EMC spack fork, add crtm-fix
2023-01-17ncview: bypass compiler check against netcdf-c compiler (#34580)Dom Heinzeller1-9/+10
2023-01-17OpenCV: checksum for 4.5.5, make contrib optional (#34313)iarspider1-5/+11
* OpenCV: checksum for 4.5.5, make contrib optional * [@spackbot] updating style on behalf of iarspider * Add conflicts for contrib modules * Fix typo * Implement changes from review * Update var/spack/repos/builtin/packages/opencv/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> Co-authored-by: iarspider <iarspider@users.noreply.github.com> Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-01-17gcc: add patch for noexcept declarations (#34964)Glenn Johnson1-0/+7
There are some declarations that need to be declared noexcept for valarray. This affects gcc 9.5:11.2.
2023-01-16Re adding 4th chunk of nf-tools deps (#34974)Marco De La Pierre19-0/+417
* Revert "Revert "4th chunk of nf-core deps from update/nextflow-tools (#34564)" (#34960)" This reverts commit 891a63cae616dbc92acdad0e0eb626edbd0862a0. * fix to py-python-multipart, as per PR review
2023-01-17py-macs2: add version 2.2.7.1 and support python@3.10: (#34970)Glenn Johnson1-3/+21
* py-macs2: add version 2.2.7.1 and support python@3.10: The tarball from PyPi includes the Cythonized C files. The tarball from github does not. Remove the Cythonized C files from the source so that they are rebuilt with the Spack Python/Cython combination. This is necessary for python-3.10 but make sense for other combinations as well. * Edits based on review - set python version constraint on version 2.2.4 - removed all python-2 versions and related constraints.
2023-01-16py-xxhash: fix xxhash dependency (#34971)Glenn Johnson1-1/+4
* py-xxhash: fix xxhash dependency The dependency should be xxhash@0.8.0:. * Add version 3.2.0
2023-01-16rabbitmq-c: added RabbitMQ C interface (#34892)Loïc Pottier1-0/+39
Co-authored-by: Bernhard Kaindl <43588962+bernhardkaindl@users.noreply.github.com>
2023-01-17itk: add version 5.3.0 (#34967)Glenn Johnson1-0/+2
* Add depends_on("mpi") to fix missing <mpi.h> Co-authored-by: Bernhard Kaindl <43588962+bernhardkaindl@users.noreply.github.com>
2023-01-17hisat2: add version 2.2.1 and sra variant (#34966)Glenn Johnson2-4/+77
- add python dependency - add perl dependency - set python and perl interpreters in scripts
2023-01-17sra-tools: add version 3.0.3 and fix build (#34965)Glenn Johnson2-0/+21
2023-01-17stringtie: add version 2.2.1 and fix build (#34973)Glenn Johnson1-1/+5
- stringtie uses internal samtools so remove dependency on samtools - add dependency for zlib - use make release target to get correct flags
2023-01-16intel-oneapi-mpi: fix setup_dependent_build_environment (#34956)Sergey Kosukhin1-5/+5
2023-01-16py-fastfold add py-numpy upper bound (#34962)Benjamin Meyers1-0/+2
2023-01-16Add checksum for hwloc 2.9.0 (#34919)iarspider1-0/+1
2023-01-16Add package file for xtb and py-xtb (#34857)Sebastian Ehlert6-11/+74
* Add package file for xtb and py-xtb * Retain maintainers from PythonPackage * Update package files - use extends("python") instead of tampering with PYTHONPATH - use PyPI for downloading sdist of py-xtb - add simple-dftd3 0.7.0 - add dftd4 3.5.0 - remove --wrap-mode=nodownload from toml-f * Remove logic for download URL
2023-01-16Add target propagation for pika package (#34924)Auriane R1-0/+17
2023-01-16Add py-python-lsp-server v1.7.0 (#34946)Alec Scott1-0/+1
2023-01-16Revert "4th chunk of nf-core deps from update/nextflow-tools (#34564)" (#34960)Harmen Stoppels19-418/+0
This reverts commit 4e63d92bc927aeb5380bdc48500abda4cda4b5bd.
2023-01-16Make docbook-xml work across all entity versions (#34733)Glenn Johnson4-4/+57
Packages that use docbook-xml may specify a specific entity version. When this is specified as a version constraint in the package recipe it will cause problems when using `unify = True` in a Spack environment, as there could be multiple versions of docbook-xml in the spec. In practice, any entity version should work with any other version and everything should work with the latest version. This PR maps all Spack docbook-xml entity versions to the docbook-xml version in the spec. Ideally, the version in the spec would be the latest version. With this PR, even if a package specifies an older entity version, it will map to the entity version (latest) in the spec. This means that there can be one docbook-xml version in a Spack environment spec and packages requesting older entity versions will still work. To help facilitate this, docbook-xml version constraints for packages that have them have been removed. Those packages are dbus and gtk-doc.
2023-01-164th chunk of nf-core deps from update/nextflow-tools (#34564)Marco De La Pierre19-0/+418
2023-01-16harfbuzz: new version 5.3.1, 6.0.0 (fixes aarch64) (#34908)Wouter Deconinck1-1/+7
A few new versions of harbuzz, but just jumping to the last non-6 version as preferred. No build system changes: - within 5 series: https://github.com/harfbuzz/harfbuzz/compare/5.1.0...5.3.1 - from 5 to 6: https://github.com/harfbuzz/harfbuzz/compare/5.3.1...6.0.0 The 5 series fixes a build issue for aarch64, https://github.com/harfbuzz/harfbuzz/issues/3768.
2023-01-16cp2k: add v2022.2, update CUDA settings (#34757)Glenn Johnson1-4/+25